General Information of the Compound
| Compound ID |
CP0452302
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829620
Show/Hide
|
||||||||||||||||||
| Formula |
C25H29F3N4O3
|
||||||||||||||||||
| Molecular Weight |
490.526
|
||||||||||||||||||
| Canonical SMILES |
COc1cnccc1[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F3N4O3/c1-35-22-12-29-10-9-21(22)16-5-7-20(8-6-16)32-14-19(15-32)31-23(33)13-30-24(34)17-3-2-4-18(11-17)25(26,27)28/h2-4,9-12,16,19-20H,5-8,13-15H2,1H3,(H,30,34)(H,31,33)/t16-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBYSLYJGZMRBFN-UKIBZPOASA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2